General Information of the Compound
| Compound ID |
CP0410886
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-[4-(2-phenylphenyl)piperazin-1-yl]-1-[(3S)-3-(piperidine-1-carbonyl)-3,4-dihydro-1H-isoquinolin-2-yl]pentan-1-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C36H44N4O2
|
||||||||||||||||||
| Molecular Weight |
564.774
|
||||||||||||||||||
| Canonical SMILES |
O=C(CCCCN1CCN(CC1)c1ccccc1-c1ccccc1)N1Cc2ccccc2C[C@H]1C(=O)N1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C36H44N4O2/c41-35(40-28-31-16-6-5-15-30(31)27-34(40)36(42)39-21-10-2-11-22-39)19-9-12-20-37-23-25-38(26-24-37)33-18-8-7-17-32(33)29-13-3-1-4-14-29/h1,3-8,13-18,34H,2,9-12,19-28H2/t34-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
GILOXFBEGDWWCD-UMSFTDKQSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00819, 5-hydroxytryptamine receptor 1A
Protein ID: PT00941, 5-hydroxytryptamine receptor 7